Information card for entry 1559699

Structure parameters

• Formula: C243 H236 Ga32 N32 Na4 Nd4 O139
• Calculated formula: C243 H236 Ga32 N32 Na4 Nd4 O139
• Title of publication: Visible, Near-Infrared, and Dual-Range Luminescence Spanning the 4f Series Sensitized by a Gallium(III)/Lanthanide(III) Metallacrown Structure.
• Authors of publication: Salerno, Elvin V.; Eliseeva, Svetlana V.; Schneider, Bernadette L.; Kampf, Jeff W.; Petoud, Stéphane; Pecoraro, Vincent L.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2020
• Journal volume: 124
• Journal issue: 50
• Pages of publication: 10550 - 10564
• a: 19.9382 ± 0.0003 Å
• b: 18.4554 ± 0.0003 Å
• c: 44.8986 ± 0.0009 Å
• α: 90°
• β: 92.964 ± 0.002°
• γ: 90°
• Cell volume: 16499.1 ± 0.5 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.3255
• Weighted residual factors for all reflections included in the refinement: 0.3343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No